Mol:FL4DAGNS0002

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FL4DAGNS0002.png

 
 
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 23 25  0  0  0  0  0  0  0  0999 V2000 
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   -0.3472    0.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0228    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7389   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4518    0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4486    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7325    1.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0196    1.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3389   -2.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7689   -2.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1066    0.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9505   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0357   -0.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1066    1.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7325    2.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  8 20  1  6  0  0  0 
 13 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
S  SKP  8 
ID	FL4DAGNS0002 
KNApSAcK_ID	C00014369 
NAME	Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone 
CAS_RN	119439-94-0 
FORMULA	C15H12O8 
EXACTMASS	320.05321735999996 
AVERAGEMASS	320.25098 
SMILES	Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c(O)2 
M  END
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